Discovery of a reversible ALDH1A3 inhibitor throwugh a consensus docking-based virtual screening study.

ABSTRACT: Aldehyde dehydrogenases (ALDHs) belong to a group of enzymes that play a vital role in various biological processes and cellular defence against aldehyde toxicity. The ALDH1A subfamily has largely been associated with elevated expression in cancer tissues, and in particular in cancer stem-like cells ALDH1A1 is a frequently expressed enzyme in stem cells and target for therapeutic intervention, however, other isoforms such as 1A2, 1A3, 2, 3A1 and 7A1 have drawn significant attention in the recent years due to their involvement in various pathophysiological conditions. The current study is aimed at therapeutic intervention of ALDH1A3 by developing new inhibitors with the aid of computer-assisted drug design approach. A mixed ligand- and structure-based virtual screening (VS) study employing

SUBMITTER: Batlle E 

PROVIDER: S-EPMC12399719 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature